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4f37593b5e
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bug fix
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2020-01-15 09:52:37 +01:00 |
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f3f8186387
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fix huckel guess
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2020-01-15 09:22:54 +01:00 |
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43a4ed34c2
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looking for a bug
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2020-01-14 22:56:20 +01:00 |
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c2ac210e4c
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create BSE standalone routine
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2020-01-14 21:27:34 +01:00 |
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d84cff37b2
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rename TDHF and co
|
2020-01-14 19:53:52 +01:00 |
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c2b49b572e
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GW AC
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2020-01-14 16:36:28 +01:00 |
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3ebcd29b19
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GW AC
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2020-01-14 16:36:11 +01:00 |
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51016fd5c1
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clean up + AC
|
2020-01-14 14:44:01 +01:00 |
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c6ec8f91e9
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RPA and ACRPA
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2020-01-13 23:08:03 +01:00 |
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89ae51c659
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Ec AC
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2020-01-08 10:18:50 +01:00 |
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3246143355
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Ec AC
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2020-01-08 10:17:19 +01:00 |
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1acf76b156
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remove ERI copy in qsGW
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2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
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bug
|
2019-10-28 16:34:09 +01:00 |
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fb4251e419
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COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
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8c2b2f5e86
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spinorb Tmatrix
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2019-10-23 08:22:36 +02:00 |
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877f78f1a5
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T-matrix in spinorbitals
|
2019-10-22 23:03:01 +02:00 |
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c22278f497
|
singlet and triplet G0T0
|
2019-10-20 08:18:58 +02:00 |
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8e07edaae0
|
G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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6ca20e2ea3
|
T matrix *might* be working
|
2019-10-17 22:07:41 +02:00 |
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6e3abd8927
|
starting G0T0
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2019-10-16 18:14:47 +02:00 |
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3c848e9244
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ppRPA done
|
2019-10-15 23:20:43 +02:00 |
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0c6f1ee7d5
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ppRPA done
|
2019-10-15 23:13:00 +02:00 |
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f8a9321cf0
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pp-RPA starting to be OK
|
2019-10-15 17:56:27 +02:00 |
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870e4defaf
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debugging ppRPA
|
2019-10-14 23:11:29 +02:00 |
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b3f376a81b
|
debug ppRPA
|
2019-10-07 22:31:45 +02:00 |
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349b5439dd
|
scan
|
2019-10-06 22:39:11 +02:00 |
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bf1f8ba2ca
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new examples
|
2019-10-06 22:37:51 +02:00 |
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a5047e9b1a
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T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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6ca04d4b44
|
pp-RPA
|
2019-10-06 20:08:38 +02:00 |
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9926f50ef4
|
new keyword for ppRPA
|
2019-10-05 23:32:17 +02:00 |
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923d1a8bd6
|
pp-RPA
|
2019-10-05 23:09:20 +02:00 |
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883a07db16
|
huckel guess and ppRPA
|
2019-10-05 22:06:25 +02:00 |
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55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
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bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
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5871d6fad3
|
stupid big in qsGW BSE
|
2019-09-26 21:43:06 +02:00 |
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d9efdc53bf
|
stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
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bc834c0466
|
scan diatomics
|
2019-09-23 18:36:55 +02:00 |
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f17760ce6f
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:16 +02:00 |
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ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
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6b052421a8
|
script for scan
|
2019-09-22 22:22:52 +02:00 |
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8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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153fe069aa
|
qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
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42e74dcca8
|
non-canonical CC
|
2019-09-11 20:56:36 +02:00 |
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5ab11e50bb
|
non-canonical CCSD
|
2019-09-11 14:47:18 +02:00 |
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9793c23357
|
COHSEX print
|
2019-07-15 14:22:32 +02:00 |
|
arjanberger10
|
60636580b9
|
COHSEX
|
2019-07-15 14:19:45 +02:00 |
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de7e7aebf3
|
bin dir
|
2019-07-15 13:52:45 +02:00 |
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4d6e969a54
|
ECMD
|
2019-07-15 12:07:54 +02:00 |
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ab7a4609b7
|
GW correction
|
2019-07-09 23:10:22 +02:00 |
|
